1-[2-(4-bromo-2-fluoroanilino)acetyl]imidazolidin-2-one

C11H11BrFN3O2 — CID 17457429

IUPAC1-[2-(4-bromo-2-fluoroanilino)acetyl]imidazolidin-2-one
SMILESO=C(CNc1ccc(Br)cc1F)N1CCNC1=O
InChIInChI=1S/C11H11BrFN3O2/c12-7-1-2-9(8(13)5-7)15-6-10(17)16-4-3-14-11(16)18/h1-2,5,15H,3-4,6H2,(H,14,18)
InChIKeyBRAJQPQAJLNAFF-UHFFFAOYSA-N
MW316.13 g/mol
LogP1.55
Rot. Bonds3

About 1-[2-(4-bromo-2-fluoroanilino)acetyl]imidazolidin-2-one

1-[2-(4-bromo-2-fluoroanilino)acetyl]imidazolidin-2-one (PubChem CID 17457429) has the molecular formula C11H11BrFN3O2 and a molecular weight of 316.13 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-fluoroanilino)acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-bromo-2-fluoroanilino)acetyl]imidazolidin-2-one
PubChem CID17457429
Molecular FormulaC11H11BrFN3O2
Molecular Weight316.13 g/mol
Exact Mass315.00
IUPAC Name1-[2-(4-bromo-2-fluoroanilino)acetyl]imidazolidin-2-one
SMILESO=C(CNc1ccc(Br)cc1F)N1CCNC1=O
InChIInChI=1S/C11H11BrFN3O2/c12-7-1-2-9(8(13)5-7)15-6-10(17)16-4-3-14-11(16)18/h1-2,5,15H,3-4,6H2,(H,14,18)
InChIKeyBRAJQPQAJLNAFF-UHFFFAOYSA-N
XLogP1.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.13
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(2,4-difluoroanilino)anilino]acetyl]imidazolidin-2-one
CID 75448645
methyl 5-ethyl-2-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzoate
CID 47086638
2-(4-bromo-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688294
1-[2-(2-methyl-5-nitroanilino)acetyl]imidazolidin-2-one
CID 26506200
1-N-(4-bromo-2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 130588833
4-(azepan-1-yl)-N,N-diethyl-3-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzenesulfonamide
CID 167790308
5-[(4-bromo-2-fluoroanilino)methyl]thiophene-2-carboxylic acid
CID 103232861
2-(4-bromo-2-fluoroanilino)-N-cyclopentylacetamide
CID 28574766
N-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide
CID 171854873
1-[2-(4-ethoxyanilino)acetyl]imidazolidin-2-one
CID 134008026
N-methyl-2-[4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]phenyl]acetamide
CID 37231270
2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone
CID 28582835

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-fluoroanilino)acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(4-bromo-2-fluoroanilino)acetyl]imidazolidin-2-one (CID 17457429) is 1-[2-(4-bromo-2-fluoroanilino)acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(4-bromo-2-fluoroanilino)acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(4-bromo-2-fluoroanilino)acetyl]imidazolidin-2-one is O=C(CNc1ccc(Br)cc1F)N1CCNC1=O.
What is the InChIKey of 1-[2-(4-bromo-2-fluoroanilino)acetyl]imidazolidin-2-one?
The InChIKey is BRAJQPQAJLNAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O2/c12-7-1-2-9(8(13)5-7)15-6-10(17)16-4-3-14-11(16)18/h1-2,5,15H,3-4,6H2,(H,14,18).
What are the key properties of 1-[2-(4-bromo-2-fluoroanilino)acetyl]imidazolidin-2-one?
1-[2-(4-bromo-2-fluoroanilino)acetyl]imidazolidin-2-one has a molecular weight of 316.13 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-2-fluoroanilino)acetyl]imidazolidin-2-one is sourced from PubChem (CID 17457429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).